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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-, (E)-
RN: 155271-56-0
InChIKey: YSBOZOHGKSJUID-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N5-O5

Molecular Weight

  • 385.3781
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(3-methoxy-2-nitrostyryl)xanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-56-0

System Generated Number

  • 0155271560

Structure Descriptors

InChI

1S/C18H19N5O5/c1-4-21-16-14(17(24)22(5-2)18(21)25)19-13(20-16)10-9-11-7-6-8-12(28-3)15(11)23(26)27/h6-10H,4-5H2,1-3H3,(H,19,20)/b10-9+

InChIKey

YSBOZOHGKSJUID-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cccc(c3[N+](=O)[O-])OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,